SCHEMBL565912

SCHEMBL565912

CCCCCCCCc1ccc2c(c1)CCN(CC(N)(CO)CO)C2

nearest known ligand 0.83

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 10/20 0.83
S1PR3 Q99500 7/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2C8 P10632 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
TNNC1 P63316 5/20 0.49
S1PR4 O95977 4/20 0.49
S1PR5 Q9H228 4/20 0.49
SGPL1 O95470 1/20 0.49
GPR183 P32249 1/20 0.49
CERS2 Q96G23 1/20 0.49
MOGAT2 Q3SYC2 3/20 0.46
S1PR2 O95136 1/20 0.45
SPHK2 Q9NRA0 2/20 0.44
SPHK1 Q9NYA1 1/20 0.44

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL566420 0.93 S1PR1 (0.74) S1PR1S1PR3CYP3A4CYP2C8CYP2D6
SCHEMBL565920 0.91 S1PR1 (1.00) S1PR1S1PR3CYP3A4CYP2C8CYP2D6
SCHEMBL566250 0.81 S1PR1 (1.00) S1PR1S1PR3CYP3A4CYP2C8CYP2D6
SCHEMBL566651 0.76 S1PR1 (0.87) S1PR1S1PR3CYP3A4CYP2C8CYP2D6
SCHEMBL20939408 0.72 DRD2 (0.55) S1PR1CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL14206695 0.71 S1PR1 (0.66) S1PR1S1PR3CYP3A4CYP2C8CYP2D6
SCHEMBL14206696 0.71 S1PR1 (0.66) S1PR1S1PR3CYP3A4CYP2C8CYP2D6
SCHEMBL14207980 0.71 S1PR1 (0.54) S1PR1S1PR3CYP3A4CYP2C8CYP2D6
SCHEMBL14207584 0.71 S1PR1 (0.54) S1PR1S1PR3CYP3A4CYP2C8CYP2D6
SCHEMBL565064 0.71 ESR1 (0.58) S1PR1MOGAT2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9181182-B2 S1P receptors modulators AKAAL PHARMA PTY LTD (AU) 2015-11-10 US claimed
US-20120034270-A1 S1P Receptors Modulators AKAAL PHARMA PTY LTD (AU) 2012-02-09 US claimed
EP-2344446-A1 S1P RECEPTORS MODULATORS Akaal Pharma Pty Ltd (AU) 2011-07-20 EP claimed
WO-2010042998-A1 S1P RECEPTORS MODULATORS AKAAL PHARMA PTY LTD (AU) 2010-04-22 WO claimed
US-9181182-B2 S1P receptors modulators AKAAL PHARMA PTY LTD (AU) 2015-11-10 US disclosed
US-9181182-B2 S1P receptors modulators AKAAL PHARMA PTY LTD (AU) 2015-11-10 US disclosed
US-9181182-B2 S1P receptors modulators AKAAL PHARMA PTY LTD (AU) 2015-11-10 US disclosed
US-20120034270-A1 S1P Receptors Modulators AKAAL PHARMA PTY LTD (AU) 2012-02-09 US disclosed
US-20120034270-A1 S1P Receptors Modulators AKAAL PHARMA PTY LTD (AU) 2012-02-09 US disclosed
US-20120034270-A1 S1P Receptors Modulators AKAAL PHARMA PTY LTD (AU) 2012-02-09 US disclosed
EP-2344446-A1 S1P RECEPTORS MODULATORS Akaal Pharma Pty Ltd (AU) 2011-07-20 EP disclosed
WO-2010042998-A1 S1P RECEPTORS MODULATORS AKAAL PHARMA PTY LTD (AU) 2010-04-22 WO disclosed
WO-2010042998-A1 S1P RECEPTORS MODULATORS AKAAL PHARMA PTY LTD (AU) 2010-04-22 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120034270-A1 S1P Receptors Modulators S1PR1, S1PR5, S1PR3 S1PR1 1/4885S1PR3 3/4885CYP3A4 4526/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.